Development of a Machine Learning Interatomic Potential for Zirconium and Its Verification in Molecular Dynamics
Molecular dynamics (MD) can dynamically reveal the structural evolution and mechanical response of Zirconium (Zr) at the atomic scale under complex service conditions such as high temperature, stress, and irradiation. However, traditional empirical potentials are limited by their fixed function form...
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| Principais autores: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
MDPI AG
2025-10-01
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| Series: | Nanomaterials |
| Assuntos: | |
| Acceso en liña: | https://www.mdpi.com/2079-4991/15/21/1611 |
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